Surface disclination cores in the B₂ phase of bent-shaped molecules described by the Peierls–Nabarro model

Abstract

The Peierls–Nabarro model, originally proposed to describe dislocation core in solids, is used to model core structures of 2π- and π-surface disclinations in the B₂ phase of bent-shaped molecules. Structures of disclination cores are determined by surface anchoring. Core parameters as core widths (and positions of two partial π-disclinations as parts comprising 2π-disclination) are estimated using surface anchoring energy. Disclination core widths are usually narrow for strong anchoring. In such a case they are barely observable; nevertheless, they can exist.

Keywords:

• B₂ phase
• bent-shaped molecules
• surface disclinations
• Peierls–Nabarro model

Acknowledgements

This work was supported by projects No. 202/09/0047 (Grant Agency of the Czech Republic) and No. IAA100100710 (Grant Agency of ASCR).